#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcp s ASP 2 N 0.00 4.85 -0.51 1.61 1.01 -1.26 -5.07 116.67 117.31 2kcp s ASP 2 Ca 0.00 -0.13 -0.27 0.00 0.71 0.00 0.00 52.55 52.86 2kcp s ASP 2 Cb 0.00 -1.80 0.03 0.00 1.01 0.00 0.00 42.92 42.16 2kcp s ASP 2 CO 0.00 0.15 1.06 -0.13 0.21 0.00 0.00 175.17 176.46 2kcp s ARG 3 N 0.49 3.56 -0.31 8.23 3.00 -1.26 -4.97 118.95 127.69 2kcp s ARG 3 Ca -0.03 0.25 -0.02 0.00 0.00 0.00 0.00 55.73 55.93 2kcp s ARG 3 Cb -0.14 -3.96 0.11 0.00 0.00 0.00 0.00 34.95 30.96 2kcp s ARG 3 CO 0.03 -1.42 0.14 1.03 0.00 0.00 0.00 175.30 175.07 2kcp s ARG 4 N 4.29 0.43 0.31 3.54 0.52 -1.26 -5.15 118.95 121.63 2kcp s ARG 4 Ca 0.41 -0.85 0.07 0.00 -0.52 0.00 0.00 55.73 54.83 2kcp s ARG 4 Cb -0.09 -1.45 -0.02 0.00 0.52 0.00 0.00 34.95 33.91 2kcp s ARG 4 CO 0.27 -1.04 0.38 0.14 0.02 0.00 0.00 175.30 175.06 2kcp s VAL 5 N 1.75 4.19 -1.00 3.52 -7.23 -1.26 -5.04 120.40 115.32 2kcp s VAL 5 Ca 0.11 -1.13 -0.20 0.00 -1.81 0.00 0.00 61.98 58.96 2kcp s VAL 5 Cb -0.18 -3.43 0.11 0.00 0.56 0.00 0.00 36.38 33.44 2kcp s VAL 5 CO -0.27 -0.21 1.29 -0.13 -0.31 0.00 0.00 175.10 175.47 2kcp s ARG 6 N -4.06 3.66 0.59 4.82 0.52 -1.26 -4.84 118.95 118.38 2kcp s ARG 6 Ca 0.41 -1.65 0.36 0.00 -0.52 0.00 0.00 55.73 54.32 2kcp s ARG 6 Cb -0.08 -5.10 1.87 0.00 0.52 0.00 0.00 34.95 32.16 2kcp s ARG 6 CO 0.29 -1.93 2.20 1.37 0.02 0.00 0.00 175.30 177.25 2kcp h LEU 7 N 11.20 0.00 -8.49 2.53 -0.00 -2.06 -3.39 115.31 115.10 2kcp h LEU 7 Ca 0.20 0.00 -0.69 0.00 -0.00 0.00 0.00 57.88 57.39 2kcp h LEU 7 Cb 1.00 0.00 -0.18 0.00 -0.00 0.00 0.00 40.66 41.48 2kcp h LEU 7 CO 1.24 0.04 -0.08 -0.51 -0.00 0.00 0.00 178.44 179.12 2kcp s ILE 8 N -4.15 4.99 -1.16 0.15 1.10 -1.26 -5.01 121.20 115.86 2kcp s ILE 8 Ca -0.03 -0.36 -0.10 0.00 -0.51 0.00 0.00 60.65 59.65 2kcp s ILE 8 Cb 0.13 -4.15 0.24 0.00 0.15 0.00 0.00 42.46 38.83 2kcp s ILE 8 CO 0.50 -0.58 1.29 -2.11 -2.11 0.00 0.00 174.94 171.94 2kcp n ARG 9 N 5.85 3.56 -2.06 3.50 -4.01 -1.26 -4.97 116.66 117.27 2kcp n ARG 9 Ca -0.06 -4.21 -0.28 0.00 -1.04 0.00 0.00 57.85 52.26 2kcp n ARG 9 Cb 0.47 -2.73 -0.06 0.00 -3.04 0.00 0.00 32.46 27.10 2kcp n ARG 9 CO 0.00 0.00 0.00 0.95 -3.04 0.00 0.00 177.63 175.54 2kcp s THR 10 N -0.35 3.51 -0.05 8.89 -4.23 -1.26 -4.89 115.64 117.27 2kcp s THR 10 Ca 0.35 -0.69 0.01 0.00 -1.18 0.00 0.00 61.69 60.18 2kcp s THR 10 Cb -0.06 -4.34 0.02 0.00 1.34 0.00 0.00 72.50 69.47 2kcp s THR 10 CO -0.03 -0.98 -0.03 -0.13 -0.54 0.00 0.00 174.62 172.91 2kcp s ARG 11 N 6.68 0.70 0.00 3.99 1.81 -1.26 -5.10 118.95 125.77 2kcp s ARG 11 Ca 0.69 -0.04 0.00 0.00 -1.72 0.00 0.00 55.73 54.66 2kcp s ARG 11 Cb -0.03 -0.80 0.00 0.00 -0.45 0.00 0.00 34.95 33.67 2kcp s ARG 11 CO 0.07 -0.13 0.00 0.41 -0.68 0.00 0.00 175.30 174.97 2kcp n GLY 12 N 4.25 0.51 0.00 -3.53 0.00 -1.26 -5.14 105.19 100.02 2kcp n GLY 12 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2kcp n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kcp n GLY 13 N 4.51 -0.02 3.27 -0.02 0.00 -1.26 -5.15 105.19 106.52 2kcp n GLY 13 Ca 0.00 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 2kcp n GLY 13 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kcp s ASN 14 N 0.00 4.18 -0.20 1.61 3.04 -1.26 -5.10 114.94 117.21 2kcp s ASN 14 Ca 0.00 -0.50 -0.06 0.00 0.04 0.00 0.00 52.86 52.34 2kcp s ASN 14 Cb 0.00 -1.70 -0.03 0.00 -1.54 0.00 0.00 41.25 37.98 2kcp s ASN 14 CO 0.00 -0.04 0.03 -0.89 -3.04 0.00 0.00 177.10 173.16 2kcp s THR 15 N 1.44 4.30 -2.39 -5.21 2.01 -1.26 -5.00 115.64 109.52 2kcp s THR 15 Ca 0.05 -0.20 0.22 0.00 0.31 0.00 0.00 61.69 62.07 2kcp s THR 15 Cb -0.14 -2.95 0.43 0.00 0.01 0.00 0.00 72.50 69.85 2kcp s THR 15 CO -0.04 0.42 1.46 0.29 -0.69 0.00 0.00 174.62 176.06 2kcp n LYS 16 N 4.08 2.17 -3.76 4.92 5.02 -1.26 -4.92 118.16 124.41 2kcp n LYS 16 Ca -0.17 -1.76 -0.13 0.00 -2.02 0.00 0.00 58.31 54.23 2kcp n LYS 16 Cb 0.52 -1.46 -0.10 0.00 -0.02 0.00 0.00 35.03 33.98 2kcp n LYS 16 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2kcp s VAL 17 N -1.63 0.03 0.42 -0.18 0.11 -1.26 -5.03 120.40 112.85 2kcp s VAL 17 Ca 0.35 -0.26 0.37 0.00 -2.93 0.00 0.00 61.98 59.51 2kcp s VAL 17 Cb 0.20 -0.55 0.39 0.00 -1.53 0.00 0.00 36.38 34.89 2kcp s VAL 17 CO 0.29 -0.14 2.17 0.08 -3.33 0.00 0.00 175.10 174.17 2kcp h ARG 18 N 4.66 0.00 -1.04 1.54 -0.00 -1.90 -3.44 114.38 114.19 2kcp h ARG 18 Ca -0.28 0.00 0.20 0.00 -0.00 0.00 0.00 59.98 59.90 2kcp h ARG 18 Cb 1.18 0.00 -0.32 0.00 -0.00 0.00 0.00 29.97 30.83 2kcp h ARG 18 CO 0.35 0.03 0.68 -1.17 -0.00 0.00 0.00 179.97 179.86 2kcp s LEU 19 N -6.47 -0.12 -0.30 0.08 0.20 -1.26 -4.56 118.68 106.24 2kcp s LEU 19 Ca -0.02 0.19 -0.09 0.00 0.69 0.00 0.00 54.13 54.90 2kcp s LEU 19 Cb 0.12 1.17 0.18 0.00 -0.43 0.00 0.00 46.19 47.22 2kcp s LEU 19 CO 0.50 -0.03 0.85 0.00 -0.29 0.00 0.00 176.35 177.38 2kcp s ALA 20 N 1.18 -2.82 0.00 5.97 0.00 -1.26 -5.01 121.76 119.82 2kcp s ALA 20 Ca -0.07 1.73 0.00 0.00 0.00 0.00 0.00 51.96 53.61 2kcp s ALA 20 Cb -0.02 -2.27 0.00 0.00 0.00 0.00 0.00 23.12 20.82 2kcp s ALA 20 CO -0.11 -1.31 0.00 -1.13 0.00 0.00 0.00 175.76 173.21 2kcp n SER 21 N 5.39 0.00 -4.57 0.00 3.41 -1.26 -4.86 113.62 111.73 2kcp n SER 21 Ca -0.05 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.19 2kcp n SER 21 Cb 0.52 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.36 2kcp n SER 21 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2kcp s ASP 22 N 0.00 5.64 -0.34 4.04 2.15 -1.26 -5.08 116.67 121.82 2kcp s ASP 22 Ca 0.00 -0.03 -0.10 0.00 0.43 0.00 0.00 52.55 52.84 2kcp s ASP 22 Cb 0.00 -2.01 0.01 0.00 -0.30 0.00 0.00 42.92 40.62 2kcp s ASP 22 CO 0.00 0.03 0.18 -0.89 -0.17 0.00 0.00 175.17 174.32 2kcp s THR 23 N 1.24 4.61 0.19 1.71 2.01 -1.26 -4.95 115.64 119.20 2kcp s THR 23 Ca 0.06 -0.63 -0.04 0.00 0.31 0.00 0.00 61.69 61.40 2kcp s THR 23 Cb -0.14 -3.46 -0.03 0.00 0.01 0.00 0.00 72.50 68.88 2kcp s THR 23 CO 0.05 -0.08 0.19 -0.13 -0.69 0.00 0.00 174.62 173.96 2kcp s ARG 24 N 1.59 1.21 -0.07 4.92 0.52 -1.26 -1.70 118.95 124.16 2kcp s ARG 24 Ca 0.03 -1.50 -0.14 0.00 -0.52 0.00 0.00 55.73 53.60 2kcp s ARG 24 Cb -0.18 0.31 0.03 0.00 0.52 0.00 0.00 34.95 35.63 2kcp s ARG 24 CO 0.07 -0.42 0.34 -1.50 0.02 0.00 0.00 175.30 173.81 2kcp s ILE 25 N -4.10 0.03 -0.62 1.52 2.07 0.86 -4.68 121.20 116.28 2kcp s ILE 25 Ca 0.32 -0.26 -0.28 0.00 -1.41 0.00 0.00 60.65 59.03 2kcp s ILE 25 Cb 0.05 -0.58 0.03 0.00 0.13 0.00 0.00 42.46 42.09 2kcp s ILE 25 CO 0.09 -0.14 1.26 0.20 -1.91 0.00 0.00 174.94 174.44 2kcp s ASN 26 N -0.67 6.31 -0.20 4.50 0.02 0.27 -0.63 114.94 124.53 2kcp s ASN 26 Ca -0.08 -0.01 -0.20 0.00 -1.02 0.00 0.00 52.86 51.55 2kcp s ASN 26 Cb -0.04 -2.55 -0.03 0.00 0.02 0.00 0.00 41.25 38.65 2kcp s ASN 26 CO 0.03 -1.62 0.59 -0.69 0.02 0.00 0.00 177.10 175.43 2kcp s VAL 27 N 5.37 5.05 -0.28 1.60 1.01 0.58 -1.11 120.40 132.63 2kcp s VAL 27 Ca 0.42 1.10 -0.07 0.00 0.00 0.00 0.00 61.98 63.43 2kcp s VAL 27 Cb -0.08 -3.91 -0.00 0.00 0.00 0.00 0.00 36.38 32.39 2kcp s VAL 27 CO 0.23 0.13 0.07 -0.69 0.00 0.00 0.00 175.10 174.83 2kcp s VAL 28 N 1.86 4.06 -0.06 2.92 1.01 0.39 -1.27 120.40 129.30 2kcp s VAL 28 Ca 0.27 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 2kcp s VAL 28 Cb -0.16 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 2kcp s VAL 28 CO 0.10 0.18 1.40 -0.62 0.00 0.00 0.00 175.10 176.16 2kcp s ASP 29 N 1.54 6.85 0.34 3.32 -1.08 0.01 -0.38 116.67 127.27 2kcp s ASP 29 Ca 0.04 1.99 0.10 0.00 -0.52 0.00 0.00 52.55 54.17 2kcp s ASP 29 Cb -0.16 -2.55 0.62 0.00 -1.46 0.00 0.00 42.92 39.37 2kcp s ASP 29 CO 0.03 -0.77 1.78 1.55 0.52 0.00 0.00 175.17 178.28 2kcp h PRO 30 N 8.29 0.09 0.08 4.34 0.13 -1.91 0.12 132.00 143.14 2kcp h PRO 30 Ca -0.35 -0.04 -0.31 0.00 -0.87 0.00 0.00 66.00 64.44 2kcp h PRO 30 Cb 1.16 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 2kcp h PRO 30 CO 0.93 0.46 -1.68 0.93 -0.23 0.00 0.00 178.00 178.41 2kcp h GLU 31 N 0.08 0.17 0.00 0.86 5.08 -1.92 -3.40 114.58 115.45 2kcp h GLU 31 Ca 0.01 -0.30 -0.22 0.00 -1.00 0.00 0.00 59.36 57.84 2kcp h GLU 31 Cb 0.71 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.03 2kcp h GLU 31 CO 0.05 1.14 -1.98 0.25 -1.00 0.00 0.00 179.01 177.47 2kcp n THR 32 N -3.86 1.03 -1.04 1.13 -2.24 -1.25 -5.01 114.28 103.05 2kcp n THR 32 Ca -0.31 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 60.74 2kcp n THR 32 Cb 0.91 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 2kcp n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kcp n GLY 33 N 1.53 0.49 3.73 3.38 0.00 0.41 -5.02 105.19 109.71 2kcp n GLY 33 Ca -0.19 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 2kcp n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kcp s LYS 34 N -2.10 4.66 -0.37 1.61 -2.85 -1.25 -4.74 119.74 114.69 2kcp s LYS 34 Ca 0.00 1.57 -0.00 0.00 -1.00 0.00 0.00 55.97 56.53 2kcp s LYS 34 Cb 0.00 -3.33 0.10 0.00 -2.06 0.00 0.00 37.83 32.54 2kcp s LYS 34 CO 0.00 0.16 0.13 0.08 0.10 0.00 0.00 175.35 175.82 2kcp s VAL 35 N -0.14 2.91 0.04 1.79 1.01 -1.25 -0.81 120.40 123.94 2kcp s VAL 35 Ca 0.48 -2.07 0.07 0.00 0.00 0.00 0.00 61.98 60.46 2kcp s VAL 35 Cb -0.26 -2.99 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 2kcp s VAL 35 CO 0.32 -0.58 -0.20 -0.70 0.00 0.00 0.00 175.10 173.94 2kcp s GLU 36 N 1.08 1.37 -0.43 2.72 2.56 -0.40 -4.90 118.70 120.69 2kcp s GLU 36 Ca 0.07 -0.90 -0.25 0.00 0.00 0.00 0.00 54.97 53.89 2kcp s GLU 36 Cb -0.21 -1.46 0.02 0.00 2.00 0.00 0.00 34.13 34.49 2kcp s GLU 36 CO -0.05 0.37 0.92 0.42 -0.56 0.00 0.00 175.26 176.36 2kcp s ILE 37 N -0.77 4.51 0.07 -3.70 1.01 -1.26 -0.31 121.20 120.76 2kcp s ILE 37 Ca 0.07 0.87 0.05 0.00 0.00 0.00 0.00 60.65 61.64 2kcp s ILE 37 Cb -0.09 -4.40 -0.04 0.00 0.01 0.00 0.00 42.46 37.95 2kcp s ILE 37 CO 0.01 -0.74 -0.05 0.00 0.00 0.00 0.00 174.94 174.17 2kcp s ALA 38 N 3.66 3.13 0.02 9.38 0.00 0.19 -4.88 121.76 133.26 2kcp s ALA 38 Ca 0.37 -1.13 -0.30 0.00 0.00 0.00 0.00 51.96 50.91 2kcp s ALA 38 Cb -0.11 -1.10 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 2kcp s ALA 38 CO 0.24 0.66 0.96 -1.21 0.00 0.00 0.00 175.76 176.42 2kcp s GLU 39 N -2.04 4.58 -0.39 0.00 2.02 -1.26 -0.10 118.70 121.52 2kcp s GLU 39 Ca 0.22 1.40 -0.28 0.00 0.02 0.00 0.00 54.97 56.33 2kcp s GLU 39 Cb -0.11 -3.44 0.02 0.00 0.10 0.00 0.00 34.13 30.70 2kcp s GLU 39 CO 0.14 0.01 1.06 0.42 0.02 0.00 0.00 175.26 176.91 2kcp s ILE 40 N 0.79 4.42 -0.14 -1.63 1.01 -0.69 -3.00 121.20 121.96 2kcp s ILE 40 Ca 0.50 1.42 -0.25 0.00 0.00 0.00 0.00 60.65 62.32 2kcp s ILE 40 Cb -0.21 -4.47 -0.25 0.00 0.01 0.00 0.00 42.46 37.54 2kcp s ILE 40 CO 0.28 -0.68 0.65 0.03 0.00 0.00 0.00 174.94 175.22 2kcp h ARG 41 N 8.58 0.06 -6.01 2.79 2.47 -0.78 -3.47 114.38 118.02 2kcp h ARG 41 Ca -0.22 -0.11 -0.57 0.00 -1.26 0.00 0.00 59.98 57.82 2kcp h ARG 41 Cb 1.06 0.04 -0.25 0.00 -1.65 0.00 0.00 29.97 29.17 2kcp h ARG 41 CO 1.05 1.05 -0.84 1.21 0.56 0.00 0.00 179.97 183.01 2kcp s ASN 42 N -6.53 2.39 0.00 7.04 3.84 -0.70 -4.99 114.94 115.99 2kcp s ASN 42 Ca -0.20 -0.52 0.04 0.00 0.21 0.00 0.00 52.86 52.39 2kcp s ASN 42 Cb 0.00 -0.19 0.05 0.00 -0.55 0.00 0.00 41.25 40.56 2kcp s ASN 42 CO 0.70 0.14 0.73 1.33 -2.79 0.00 0.00 177.10 177.21 2kcp n VAL 43 N 1.81 0.21 -2.48 -5.21 0.24 -1.26 -1.74 118.33 109.91 2kcp n VAL 43 Ca -0.17 -0.61 -0.43 0.00 -2.04 0.00 0.00 64.34 61.09 2kcp n VAL 43 Cb 0.53 0.96 -0.02 0.00 -1.47 0.00 0.00 33.84 33.84 2kcp n VAL 43 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2kcp s VAL 44 N -0.49 4.34 0.38 3.34 0.11 -1.26 -4.79 120.40 122.03 2kcp s VAL 44 Ca 0.06 1.64 0.03 0.00 -2.93 0.00 0.00 61.98 60.77 2kcp s VAL 44 Cb 0.04 -4.06 0.07 0.00 -1.53 0.00 0.00 36.38 30.90 2kcp s VAL 44 CO 0.05 -0.08 0.52 -1.84 -3.33 0.00 0.00 175.10 170.42 2kcp n GLU 45 N 5.96 0.47 -1.94 1.54 0.28 -1.26 -4.72 120.64 120.99 2kcp n GLU 45 Ca 0.12 -1.68 -0.24 0.00 -0.16 0.00 0.00 57.16 55.20 2kcp n GLU 45 Cb 0.46 -0.27 -0.05 0.00 1.43 0.00 0.00 31.44 33.01 2kcp n GLU 45 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 2kcp s ASN 46 N -3.21 4.86 0.27 -1.84 3.84 -1.26 -4.91 114.94 112.69 2kcp s ASN 46 Ca 0.37 -0.45 0.04 0.00 0.21 0.00 0.00 52.86 53.03 2kcp s ASN 46 Cb -0.02 -2.56 -0.06 0.00 -0.55 0.00 0.00 41.25 38.06 2kcp s ASN 46 CO 0.24 -2.98 0.03 0.42 -2.79 0.00 0.00 177.10 172.02 2kcp s THR 47 N 11.10 1.07 -0.02 -5.21 -4.23 -1.26 -5.05 115.64 112.04 2kcp s THR 47 Ca 0.75 -2.02 0.10 0.00 -1.18 0.00 0.00 61.69 59.34 2kcp s THR 47 Cb -0.08 -2.57 -0.23 0.00 1.34 0.00 0.00 72.50 70.96 2kcp s THR 47 CO 0.02 -0.15 0.75 0.00 -0.54 0.00 0.00 174.62 174.70 2kcp h ALA 48 N 2.31 0.66 -3.51 3.99 0.00 -2.06 -3.43 119.26 117.22 2kcp h ALA 48 Ca -0.39 -1.36 -0.65 0.00 0.00 0.00 0.00 54.91 52.50 2kcp h ALA 48 Cb 1.24 0.40 -0.40 0.00 0.00 0.00 0.00 17.79 19.02 2kcp h ALA 48 CO 0.66 1.50 -0.66 -0.80 0.00 0.00 0.00 179.25 179.95 2kcp s ASN 49 N -6.29 4.62 -0.80 0.00 0.01 -1.26 -5.06 114.94 106.16 2kcp s ASN 49 Ca -0.05 -2.54 -0.25 0.00 -0.71 0.00 0.00 52.86 49.30 2kcp s ASN 49 Cb 0.08 -1.65 -0.03 0.00 0.41 0.00 0.00 41.25 40.05 2kcp s ASN 49 CO 0.82 -0.32 1.90 -2.84 -1.51 0.00 0.00 177.10 175.14 2kcp s PRO 50 N 0.37 2.61 -0.00 -0.60 0.02 -1.26 -4.95 135.00 131.19 2kcp s PRO 50 Ca 0.14 -0.01 0.03 0.00 0.02 0.00 0.00 61.00 61.18 2kcp s PRO 50 Cb -0.22 -4.83 -0.01 0.00 0.02 0.00 0.00 34.50 29.46 2kcp s PRO 50 CO -0.04 -3.11 -0.10 -1.58 -0.33 0.00 0.00 177.00 171.84 2kcp s HIS 51 N 9.55 0.90 -0.42 6.54 2.46 -1.26 -4.77 115.29 128.28 2kcp s HIS 51 Ca 0.68 -0.19 0.00 0.00 0.47 0.00 0.00 55.06 56.02 2kcp s HIS 51 Cb -0.09 -0.57 0.00 0.00 -0.13 0.00 0.00 32.58 31.79 2kcp s HIS 51 CO 0.06 -0.01 0.00 0.34 -2.47 0.00 0.00 174.74 172.66 2kcp n PHE 52 N 2.74 0.00 0.32 3.88 7.35 -1.26 -4.86 117.46 125.64 2kcp n PHE 52 Ca -0.14 0.00 0.21 0.00 -0.76 0.00 0.00 57.45 56.76 2kcp n PHE 52 Cb 0.56 -1.59 1.09 0.00 0.35 0.00 0.00 39.48 39.89 2kcp n PHE 52 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 2kcp h VAL 53 N 0.00 0.00 0.00 -2.13 2.07 -1.98 -0.97 116.25 113.25 2kcp h VAL 53 Ca -0.08 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2kcp h VAL 53 Cb 0.70 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 2kcp h VAL 53 CO 0.12 0.00 0.00 -0.09 0.02 0.00 0.00 177.57 177.62 2kcp h ARG 54 N 0.00 0.00 -4.96 1.57 9.65 -1.98 -3.38 114.38 115.28 2kcp h ARG 54 Ca 0.00 0.00 -0.66 0.00 -1.10 0.00 0.00 59.98 58.22 2kcp h ARG 54 Cb 0.11 0.00 -0.29 0.00 -1.39 0.00 0.00 29.97 28.41 2kcp h ARG 54 CO 0.00 0.00 -0.72 0.50 2.80 0.00 0.00 179.97 182.55 2kcp s ARG 55 N -3.86 3.23 -0.46 0.20 3.00 -0.37 -5.05 118.95 115.64 2kcp s ARG 55 Ca -0.03 -0.72 -0.26 0.00 -1.00 0.00 0.00 55.73 53.72 2kcp s ARG 55 Cb 0.10 -3.03 -0.07 0.00 0.00 0.00 0.00 34.95 31.95 2kcp s ARG 55 CO 0.35 -0.26 2.39 -0.80 0.00 0.00 0.00 175.30 176.98 2kcp s ASN 56 N 1.45 4.53 -0.53 -2.12 0.01 -1.26 -4.92 114.94 112.10 2kcp s ASN 56 Ca 0.04 1.17 -0.16 0.00 -0.71 0.00 0.00 52.86 53.20 2kcp s ASN 56 Cb -0.15 -2.50 0.12 0.00 0.41 0.00 0.00 41.25 39.13 2kcp s ASN 56 CO -0.03 -2.79 0.49 -0.63 -1.51 0.00 0.00 177.10 172.63 2kcp s ILE 57 N 11.82 5.20 -0.23 0.60 1.01 -1.26 -5.06 121.20 133.28 2kcp s ILE 57 Ca 0.98 -1.43 -0.08 0.00 0.00 0.00 0.00 60.65 60.12 2kcp s ILE 57 Cb -0.19 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 37.93 2kcp s ILE 57 CO 0.27 -0.84 0.08 -0.63 0.00 0.00 0.00 174.94 173.83 2kcp s ILE 58 N 1.63 4.59 0.23 2.92 -1.09 -1.26 -4.93 121.20 123.28 2kcp s ILE 58 Ca 0.03 -0.09 -0.08 0.00 -2.23 0.00 0.00 60.65 58.28 2kcp s ILE 58 Cb -0.29 -3.13 -0.02 0.00 -1.58 0.00 0.00 42.46 37.44 2kcp s ILE 58 CO 0.04 0.36 0.34 0.28 -1.23 0.00 0.00 174.94 174.73 2kcp s THR 59 N 1.29 0.00 0.09 2.92 -1.32 -1.26 -4.35 115.64 113.01 2kcp s THR 59 Ca 0.05 -1.62 -0.31 0.00 -1.21 0.00 0.00 61.69 58.61 2kcp s THR 59 Cb -0.15 -2.29 -0.09 0.00 -1.51 0.00 0.00 72.50 68.47 2kcp s THR 59 CO 0.04 -0.02 1.72 -0.60 -2.21 0.00 0.00 174.62 173.55 2kcp s ARG 60 N -4.07 4.17 0.00 7.08 3.52 -1.26 -2.07 118.95 126.33 2kcp s ARG 60 Ca 0.28 2.43 0.00 0.00 -0.13 0.00 0.00 55.73 58.31 2kcp s ARG 60 Cb 0.02 -3.60 0.00 0.00 -1.56 0.00 0.00 34.95 29.81 2kcp s ARG 60 CO 0.10 -0.78 0.00 0.41 -0.81 0.00 0.00 175.30 174.22 2kcp n GLY 61 N 4.09 1.72 3.75 8.12 0.00 -0.01 -5.02 105.19 117.84 2kcp n GLY 61 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2kcp n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kcp s ALA 62 N -2.45 3.38 -0.34 4.61 0.00 -0.88 -4.75 121.76 121.33 2kcp s ALA 62 Ca 0.00 0.83 -0.09 0.00 0.00 0.00 0.00 51.96 52.70 2kcp s ALA 62 Cb 0.00 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.81 2kcp s ALA 62 CO 0.00 -0.15 0.16 0.08 0.00 0.00 0.00 175.76 175.84 2kcp s VAL 63 N -0.70 4.34 -0.10 0.00 1.01 -1.26 -0.49 120.40 123.21 2kcp s VAL 63 Ca 0.47 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 2kcp s VAL 63 Cb -0.30 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 2kcp s VAL 63 CO 0.37 -0.11 0.03 0.68 0.00 0.00 0.00 175.10 176.07 2kcp s VAL 64 N 1.53 4.53 -0.32 2.92 -7.23 -0.32 -4.11 120.40 117.40 2kcp s VAL 64 Ca 0.02 -0.16 -0.27 0.00 -1.81 0.00 0.00 61.98 59.76 2kcp s VAL 64 Cb -0.18 -2.92 0.01 0.00 0.56 0.00 0.00 36.38 33.84 2kcp s VAL 64 CO 0.05 0.60 0.97 -0.70 -0.31 0.00 0.00 175.10 175.71 2kcp s GLU 65 N -0.86 4.01 0.51 4.82 2.56 -0.71 -0.23 118.70 128.80 2kcp s GLU 65 Ca 0.13 0.87 0.01 0.00 0.00 0.00 0.00 54.97 55.97 2kcp s GLU 65 Cb -0.12 -3.74 -0.01 0.00 2.00 0.00 0.00 34.13 32.27 2kcp s GLU 65 CO 0.03 -0.84 0.02 0.95 -0.56 0.00 0.00 175.26 174.86 2kcp s THR 66 N 3.41 1.00 0.28 -1.70 -4.23 0.23 -0.03 115.64 114.60 2kcp s THR 66 Ca 0.40 -2.00 0.37 0.00 -1.18 0.00 0.00 61.69 59.29 2kcp s THR 66 Cb -0.13 -2.08 0.40 0.00 1.34 0.00 0.00 72.50 72.03 2kcp s THR 66 CO 0.15 0.00 2.11 -0.55 -0.54 0.00 0.00 174.62 175.79 2kcp h ASN 67 N 1.35 0.00 0.55 3.99 -1.07 -1.89 -1.53 115.58 116.97 2kcp h ASN 67 Ca -0.43 0.00 -0.12 0.00 0.07 0.00 0.00 56.30 55.82 2kcp h ASN 67 Cb 1.32 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.55 2kcp h ASN 67 CO 0.71 0.00 -1.55 0.18 0.07 0.00 0.00 177.43 176.85 2kcp n LEU 68 N -3.00 0.58 0.00 6.14 4.77 -1.26 -5.08 117.00 119.15 2kcp n LEU 68 Ca -0.01 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 2kcp n LEU 68 Cb 0.19 0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 2kcp n LEU 68 CO 0.23 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 2kcp n GLY 69 N 1.36 0.88 3.64 -0.72 0.00 -0.58 -4.99 105.19 104.78 2kcp n GLY 69 Ca -0.09 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.53 2kcp n GLY 69 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kcp s ASN 70 N -4.00 6.63 -0.22 1.61 0.02 -1.02 -0.60 114.94 117.36 2kcp s ASN 70 Ca 0.00 1.72 -0.04 0.00 -1.02 0.00 0.00 52.86 53.52 2kcp s ASN 70 Cb 0.00 -2.53 -0.01 0.00 0.02 0.00 0.00 41.25 38.72 2kcp s ASN 70 CO 0.00 -1.03 -0.03 -0.69 0.02 0.00 0.00 177.10 175.37 2kcp s VAL 71 N 4.39 3.53 -0.47 1.60 1.01 0.68 -0.07 120.40 131.07 2kcp s VAL 71 Ca 0.66 -0.44 -0.26 0.00 0.00 0.00 0.00 61.98 61.94 2kcp s VAL 71 Cb -0.25 -2.61 0.03 0.00 0.00 0.00 0.00 36.38 33.55 2kcp s VAL 71 CO 0.25 0.42 0.94 -0.60 0.00 0.00 0.00 175.10 176.10 2kcp s ARG 72 N 1.42 3.52 -0.03 2.72 3.52 0.38 -1.18 118.95 129.30 2kcp s ARG 72 Ca 0.05 0.15 -0.30 0.00 -0.13 0.00 0.00 55.73 55.50 2kcp s ARG 72 Cb -0.14 -3.94 -0.06 0.00 -1.56 0.00 0.00 34.95 29.25 2kcp s ARG 72 CO -0.02 -1.26 1.73 0.08 -0.81 0.00 0.00 175.30 175.03 2kcp s VAL 73 N 3.82 3.43 -0.12 7.11 1.01 0.36 -0.78 120.40 135.23 2kcp s VAL 73 Ca 0.37 0.53 -0.08 0.00 0.00 0.00 0.00 61.98 62.80 2kcp s VAL 73 Cb -0.10 -3.34 -0.26 0.00 0.00 0.00 0.00 36.38 32.68 2kcp s VAL 73 CO 0.26 -0.05 0.39 0.71 0.00 0.00 0.00 175.10 176.41 2kcp h THR 74 N 5.57 0.66 -4.43 3.92 1.35 -0.90 0.02 112.91 119.10 2kcp h THR 74 Ca -0.42 -2.35 -0.62 0.00 -0.55 0.00 0.00 66.41 62.47 2kcp h THR 74 Cb 1.19 2.52 -0.29 0.00 -1.73 0.00 0.00 68.15 69.84 2kcp h THR 74 CO 0.95 0.88 -0.86 -0.55 -0.25 0.00 0.00 175.52 175.69 2kcp s SER 75 N -7.06 2.54 0.69 5.36 0.15 -1.09 -4.75 113.70 109.53 2kcp s SER 75 Ca -0.22 -0.40 -0.15 0.00 0.70 0.00 0.00 55.95 55.87 2kcp s SER 75 Cb 0.06 -0.28 0.02 0.00 -1.71 0.00 0.00 66.02 64.11 2kcp s SER 75 CO 0.77 0.26 1.16 -0.13 1.20 0.00 0.00 173.24 176.50 2kcp s ARG 76 N -0.57 2.49 0.00 5.44 0.52 -1.26 -3.67 118.95 121.90 2kcp s ARG 76 Ca 0.08 1.61 -0.00 0.00 -0.52 0.00 0.00 55.73 56.90 2kcp s ARG 76 Cb -0.08 -1.89 -0.00 0.00 0.52 0.00 0.00 34.95 33.49 2kcp s ARG 76 CO -0.01 -1.54 1.55 -0.35 0.02 0.00 0.00 175.30 174.98 2kcp n PRO 77 N -2.49 0.78 -0.52 3.54 -0.04 -1.26 -3.11 135.00 131.90 2kcp n PRO 77 Ca 0.12 -0.01 -0.02 0.00 -0.04 0.00 0.00 63.50 63.55 2kcp n PRO 77 Cb 0.51 -1.13 -0.02 0.00 -0.04 0.00 0.00 33.50 32.83 2kcp n PRO 77 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kcp n GLY 78 N 1.63 -0.03 0.05 0.55 0.00 -1.26 -4.64 105.19 101.48 2kcp n GLY 78 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 2kcp n GLY 78 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kcp n GLN 79 N 0.00 0.29 -0.67 1.61 1.13 -1.18 -4.59 117.38 113.98 2kcp n GLN 79 Ca -0.07 0.31 0.08 0.00 -1.94 0.00 0.00 57.00 55.39 2kcp n GLN 79 Cb 0.33 -1.23 0.35 0.00 0.11 0.00 0.00 30.24 29.81 2kcp n GLN 79 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2kcp n ASP 80 N -3.68 4.89 0.00 1.08 2.03 -1.26 -4.91 116.55 114.69 2kcp n ASP 80 Ca -0.06 -2.68 0.00 0.00 0.52 0.00 0.00 54.79 52.57 2kcp n ASP 80 Cb 0.22 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 40.02 2kcp n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kcp n GLY 81 N 0.66 0.41 3.46 0.27 0.00 -1.26 -5.03 105.19 103.70 2kcp n GLY 81 Ca 0.25 -0.85 -0.16 0.00 0.00 0.00 0.00 46.02 45.26 2kcp n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kcp s VAL 82 N -2.00 0.01 -0.06 1.61 0.11 -1.26 -4.40 120.40 114.41 2kcp s VAL 82 Ca 0.00 -0.10 -0.16 0.00 -2.93 0.00 0.00 61.98 58.78 2kcp s VAL 82 Cb 0.00 -0.90 -0.05 0.00 -1.53 0.00 0.00 36.38 33.90 2kcp s VAL 82 CO 0.00 -0.06 0.43 -0.63 -3.33 0.00 0.00 175.10 171.52 2kcp s ILE 83 N -1.03 5.10 0.04 7.04 1.01 -1.26 -4.55 121.20 127.54 2kcp s ILE 83 Ca -0.10 0.88 0.06 0.00 0.00 0.00 0.00 60.65 61.48 2kcp s ILE 83 Cb -0.02 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 2kcp s ILE 83 CO 0.08 0.46 -0.16 0.20 0.00 0.00 0.00 174.94 175.52 2kcp s ASN 84 N -0.26 1.91 0.24 3.58 0.01 -1.24 -0.57 114.94 118.61 2kcp s ASN 84 Ca 0.24 -0.47 -0.22 0.00 -0.71 0.00 0.00 52.86 51.71 2kcp s ASN 84 Cb -0.16 -0.14 0.05 0.00 0.41 0.00 0.00 41.25 41.41 2kcp s ASN 84 CO 0.12 0.08 0.86 -0.83 -1.51 0.00 0.00 177.10 175.82 2kcp s GLY 85 N -1.10 -0.05 0.05 0.66 0.00 -0.27 -0.19 107.32 106.42 2kcp s GLY 85 Ca 0.04 -0.22 0.04 0.00 0.00 0.00 0.00 44.72 44.58 2kcp s GLY 85 CO 0.01 0.21 -0.02 0.14 0.00 0.00 0.00 173.10 173.45 2kcp s VAL 86 N -3.21 3.95 -0.26 1.40 1.01 0.04 -0.46 120.40 122.87 2kcp s VAL 86 Ca 0.14 -0.85 -0.25 0.00 0.00 0.00 0.00 61.98 61.01 2kcp s VAL 86 Cb -0.04 -2.82 -0.00 0.00 0.00 0.00 0.00 36.38 33.53 2kcp s VAL 86 CO 0.06 0.24 0.85 -0.22 0.00 0.00 0.00 175.10 176.03 2kcp s LEU 87 N -1.92 4.07 0.00 3.92 2.96 0.48 -0.47 118.68 127.72 2kcp s LEU 87 Ca 0.22 0.99 0.01 0.00 -0.22 0.00 0.00 54.13 55.13 2kcp s LEU 87 Cb -0.11 -3.21 -0.00 0.00 0.50 0.00 0.00 46.19 43.36 2kcp s LEU 87 CO 0.14 -0.57 0.15 2.30 -1.32 0.00 0.00 176.35 177.05 2kcp n ILE 88 N 5.35 0.00 -3.42 6.68 -5.35 0.90 -4.38 119.36 119.14 2kcp n ILE 88 Ca 0.06 -0.80 -0.25 0.00 -0.27 0.00 0.00 62.75 61.49 2kcp n ILE 88 Cb 0.47 0.45 -0.10 0.00 -1.74 0.00 0.00 39.64 38.72 2kcp n ILE 88 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2kcp s ARG 89 N -2.41 0.60 0.38 6.28 1.81 -1.26 -2.43 118.95 121.92 2kcp s ARG 89 Ca 0.13 -1.22 0.18 0.00 -1.72 0.00 0.00 55.73 53.10 2kcp s ARG 89 Cb 0.00 -1.11 0.75 0.00 -0.45 0.00 0.00 34.95 34.14 2kcp s ARG 89 CO 0.09 -1.22 1.78 0.93 -0.68 0.00 0.00 175.30 176.21 2kcp h GLU 90 N 6.94 0.00 -4.18 3.54 4.39 -2.01 -3.45 114.58 119.81 2kcp h GLU 90 Ca 0.07 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.64 2kcp h GLU 90 Cb 0.99 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.50 2kcp h GLU 90 CO 0.24 0.37 -0.60 -0.48 -1.16 0.00 0.00 179.01 177.39 2kcp s LEU 91 N -7.35 2.06 -0.06 1.33 2.34 -1.26 -5.11 118.68 110.63 2kcp s LEU 91 Ca -0.01 -0.97 -0.07 0.00 0.06 0.00 0.00 54.13 53.13 2kcp s LEU 91 Cb 0.12 0.43 -0.02 0.00 -0.56 0.00 0.00 46.19 46.16 2kcp s LEU 91 CO 0.69 -0.67 -0.14 1.21 -1.06 0.00 0.00 176.35 176.38 2kcp n GLU 92 N 0.02 0.22 -2.29 1.48 2.13 -1.26 -4.87 120.64 116.07 2kcp n GLU 92 Ca -0.12 0.09 -0.34 0.00 0.66 0.00 0.00 57.16 57.44 2kcp n GLU 92 Cb 0.62 -0.82 -0.04 0.00 0.27 0.00 0.00 31.44 31.48 2kcp n GLU 92 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2kcp s HIS 93 N -1.95 2.28 -1.14 4.31 3.76 -1.26 -4.86 115.29 116.43 2kcp s HIS 93 Ca -0.12 -0.37 -0.18 0.00 -0.15 0.00 0.00 55.06 54.24 2kcp s HIS 93 Cb 0.02 -4.33 -0.05 0.00 1.11 0.00 0.00 32.58 29.33 2kcp s HIS 93 CO 0.18 -1.51 2.07 -2.39 -0.85 0.00 0.00 174.74 172.23 2kcp n HIS 94 N 11.81 2.82 0.00 1.40 1.44 -1.26 -2.90 115.22 128.54 2kcp n HIS 94 Ca 0.45 -2.41 0.00 0.00 -2.01 0.00 0.00 57.72 53.75 2kcp n HIS 94 Cb 0.47 -2.19 0.00 0.00 0.12 0.00 0.00 29.99 28.39 2kcp n HIS 94 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2kcp n HIS 95 N 7.06 -0.22 -2.06 -1.40 -0.00 -1.26 -5.09 115.22 112.24 2kcp n HIS 95 Ca 0.51 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.80 2kcp n HIS 95 Cb 0.40 0.04 -0.03 0.00 -0.00 0.00 0.00 29.99 30.41 2kcp n HIS 95 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kcp s HIS 96 N -1.67 1.90 0.61 1.57 5.04 -1.14 -5.00 115.29 116.59 2kcp s HIS 96 Ca 0.00 0.64 -0.12 0.00 -1.54 0.00 0.00 55.06 54.04 2kcp s HIS 96 Cb 0.00 -4.16 -0.04 0.00 0.04 0.00 0.00 32.58 28.42 2kcp s HIS 96 CO 0.00 -2.76 1.02 -1.01 -2.34 0.00 0.00 174.74 169.65 2kcp s HIS 97 N 6.76 3.61 0.00 3.88 3.76 -1.26 -4.99 115.29 127.05 2kcp s HIS 97 Ca 0.76 1.31 0.00 0.00 -0.15 0.00 0.00 55.06 56.98 2kcp s HIS 97 Cb -0.20 -2.73 0.00 0.00 1.11 0.00 0.00 32.58 30.76 2kcp s HIS 97 CO 0.33 -0.66 0.00 1.58 -0.85 0.00 0.00 174.74 175.14